Geometry & MOs

Info

ID:

31025

PubChem CID:

854171

Reduced:

NS2C10H10 (1)

Stoich.:

AB2C10D10 (1)

Weight, g/mol:

305.001034

ΔHf, kcal/mol:

44.85

Dipole, Da:

4.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.942299

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2,4-dichlorophenyl)methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C[N+]2=C(SC1)SC3=CC=CC=C32

DOS

IR

Vibrations